7870 -OEChem-03292404513D 22 21 0 1 0 0 0 0 0999 V2000 1.1653 1.2597 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 1.2625 0.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 -0.0663 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 -0.7369 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -0.0690 -0.3015 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2735 -0.8536 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.0363 -1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.8326 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -0.7301 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -1.7864 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 -0.0327 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -1.8820 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -0.8836 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.3743 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 0.4421 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -0.9407 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7153 0.7256 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -1.8642 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -0.8463 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -0.3427 -0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 1.6512 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 1.7701 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END > 7870 > 0.4 > 2 5 6 3 7 9 1 8 10 4 > 6 1 -0.68 2 -0.68 21 0.4 22 0.4 3 0.28 5 0.28 > 2 > 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 3 3 6 7 hydrophobe > 8 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 00001EBE00000002 > 15.4255 > 25.379 > 14128692 85 18041002787134305366 20653091 64 17967532372104329962 21040471 1 17980769233587872113 23235687 12 17632573898459899279 23552423 10 17821729420673921939 24536 1 17203615869295981609 29004967 10 16630810997392027178 5084963 1 17676201368735576955 > 152.9 3.4 1.16 1 1.36 0.08 0.31 -0.75 -0.04 0 -0.21 -0.48 0.17 -0.27 > 276.856 > 99.8 > 2 5 10 $$$$